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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H51ClO11
Molecular Weight 659.204
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COTYLENIN B

SMILES

[H][C@@]12CC[C@](O)(COC)C1=C[C@@]3(C)CCC(C(C)C)=C3[C@@]([H])(O[C@H]4O[C@H](COC)[C@]56O[C@H](O[C@]5([H])[C@H]4O)[C@@](C)(O6)[C@@H](O)CCl)[C@H](O)[C@@H]2C

InChI

InChIKey=OQIDAXFFANCGIE-XWJJHAMOSA-N
InChI=1S/C33H51ClO11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,38)15-40-7)17(3)24(36)26(23(18)30)42-28-25(37)27-33(22(41-28)14-39-6)44-29(43-27)31(5,45-33)21(35)13-34/h12,16-17,19,21-22,24-29,35-38H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H51ClO11
Molecular Weight 659.204
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:10:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:10 GMT 2023
Record UNII
79E2H0Q9R3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COTYLENIN B
Common Name English
DICYCLOPENTA(A,D)CYCLOOCTENE-1,5-DIOL, 6-(((2S,3S,4AS,5R,7S,8R,8AR)-3-((1R)-2-CHLORO-1-HYDROXYETHYL)TETRAHYDRO-8-HYDROXY-5-(METHOXYMETHYL)-3-METHYL-7H-2,4A-EPOXY-5H-PYRANO(3,4-B)-1,4-DIOXIN-7-YL)OXY)-1,2,3,3A,4,5,6,8,9,9A-DECAHYDRO-1-(METHOXYMETHYL)-4,9A
Systematic Name English
Code System Code Type Description
FDA UNII
79E2H0Q9R3
Created by admin on Sat Dec 16 12:10:10 GMT 2023 , Edited by admin on Sat Dec 16 12:10:10 GMT 2023
PRIMARY
PUBCHEM
102403689
Created by admin on Sat Dec 16 12:10:10 GMT 2023 , Edited by admin on Sat Dec 16 12:10:10 GMT 2023
PRIMARY
CAS
12708-38-2
Created by admin on Sat Dec 16 12:10:10 GMT 2023 , Edited by admin on Sat Dec 16 12:10:10 GMT 2023
PRIMARY